2-[2-(4-hydroxyphenyl)sulfanylethyl-[2-(1H-pyrrol-3-yl)ethyl]amino]ethanamide

Systemtic Name: 2-[2-(4-hydroxyphenyl)sulfanylethyl-[2-(1H-pyrrol-3-yl)ethyl]amino]ethanamide Openeye Name: 2-[2-(4-hydroxyphenyl)sulfanylethyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetamide CAS Name: 2-[2-[(4-hydroxyphenyl)thio]ethyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetamide IUPAC Name: 2-[2-(4-hydroxyphenyl)sulfanylethyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetamide Traditional Name: 2-[2-[(4-hydroxyphenyl)thio]ethyl-[2-(1H-pyrrol-3-yl)ethyl]amino]acetamide Formula: C16H21N3O2S MolecularWeight: 319.42184

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1O)SCCN(CCC2=CNC=C2)CC(=O)N

Isomeric SMILES

C1=CC(=CC=C1O)SCCN(CCC2=CNC=C2)CC(=O)N

InChI

InChI=1S/C16H21N3O2S/c17-16(21)12-19(8-6-13-5-7-18-11-13)9-10-22-15-3-1-14(20)2-4-15/h1-5,7,11,18,20H,6,8-10,12H2,(H2,17,21)